2-(2,4-dioxo-3-pentyl-1H-pyrimidin-5-yl)acetic acid

C11H16N2O4 — CID 28690490

IUPAC2-(2,4-dioxo-3-pentyl-1H-pyrimidin-5-yl)acetic acid
SMILESCCCCCn1c(=O)[nH]cc(CC(=O)O)c1=O
InChIInChI=1S/C11H16N2O4/c1-2-3-4-5-13-10(16)8(6-9(14)15)7-12-11(13)17/h7H,2-6H2,1H3,(H,12,17)(H,14,15)
InChIKeyRMIKEUCNMUBPPG-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.35
Rot. Bonds6

About 2-(2,4-dioxo-3-pentyl-1H-pyrimidin-5-yl)acetic acid

2-(2,4-dioxo-3-pentyl-1H-pyrimidin-5-yl)acetic acid (PubChem CID 28690490) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(2,4-dioxo-3-pentyl-1H-pyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2,4-dioxo-3-pentyl-1H-pyrimidin-5-yl)acetic acid
PubChem CID28690490
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-(2,4-dioxo-3-pentyl-1H-pyrimidin-5-yl)acetic acid
SMILESCCCCCn1c(=O)[nH]cc(CC(=O)O)c1=O
InChIInChI=1S/C11H16N2O4/c1-2-3-4-5-13-10(16)8(6-9(14)15)7-12-11(13)17/h7H,2-6H2,1H3,(H,12,17)(H,14,15)
InChIKeyRMIKEUCNMUBPPG-UHFFFAOYSA-N
XLogP0.35
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-3-pentyl-1H-pyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(2,4-dioxo-3-pentyl-1H-pyrimidin-5-yl)acetic acid (CID 28690490) is 2-(2,4-dioxo-3-pentyl-1H-pyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(2,4-dioxo-3-pentyl-1H-pyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(2,4-dioxo-3-pentyl-1H-pyrimidin-5-yl)acetic acid is CCCCCn1c(=O)[nH]cc(CC(=O)O)c1=O.
What is the InChIKey of 2-(2,4-dioxo-3-pentyl-1H-pyrimidin-5-yl)acetic acid?
The InChIKey is RMIKEUCNMUBPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-2-3-4-5-13-10(16)8(6-9(14)15)7-12-11(13)17/h7H,2-6H2,1H3,(H,12,17)(H,14,15).
What are the key properties of 2-(2,4-dioxo-3-pentyl-1H-pyrimidin-5-yl)acetic acid?
2-(2,4-dioxo-3-pentyl-1H-pyrimidin-5-yl)acetic acid has a molecular weight of 240.26 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-3-pentyl-1H-pyrimidin-5-yl)acetic acid is sourced from PubChem (CID 28690490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).